CID 3022401

2-cyclopentyl-4-nitrosophenol

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCC(C1)C2=C(C=CC(=C2)N=O)O
InChI
InChI=1S/C11H13NO2/c13-11-6-5-9(12-14)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKey
CBCWWMWAAXQAPD-UHFFFAOYSA-N
Compound name
2-cyclopentyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.4
[M+Na]+ 214.083858 146.4
[M-H]- 190.087364 146.3
[M+NH4]+ 209.128463 160.4
[M+K]+ 230.057798 144.2
[M+H-H2O]+ 174.091900 133.0
[M+HCOO]- 236.092841 164.4
[M+CH3COO]- 250.108491 183.9
[M+Na-2H]- 212.069306 143.7
[M]+ 191.09409142 137.6
[M]- 191.09518858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.